AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Renalase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q5VYX0

UPID:

RNLS_HUMAN

Alternative names:

Monoamine oxidase-C

Alternative UPACC:

Q5VYX0; Q9BS33; Q9NUP8

Background:

Renalase, also known as Monoamine oxidase-C, plays a crucial role in the regulation of blood pressure and cardiac function. This enzyme, predominantly secreted by the kidneys, catalyzes the oxidation of specific NAD(P) derivatives, influencing systemic blood pressure and heart rate. Its activity is closely linked with the modulation of catecholamine levels in the bloodstream, which are vital for cardiovascular health.

Therapeutic significance:

Understanding the role of Renalase could open doors to potential therapeutic strategies. Its direct involvement in modulating cardiac function and systemic blood pressure positions it as a promising target for the development of treatments aimed at cardiovascular diseases, offering a novel approach to managing conditions related to blood pressure and heart rate.

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